What is it about?

A series of copper derivatives (1-5) has been synthesized, using bidentate benzimidazole-based ligands. The experimental and computational data illustrate the coordination behavior and geometric shape of the synthesized compounds. The preliminary bio logical screening data revealed that the Cu(II) complexes exhibit enhanced bactericidal activity than the respective free ligands, and a few may be trialed as “lead compounds” in future drug discovery pro grams. The hemolytic study provided insights into the cytotoxicity of the synthesized compounds, revealing a higher toxic nature of copper complexes than the ligands. The DNA-binding studies using UV–vis spectroscopy and viscometry showed that the ligands and their metal complexes interact with DNA primarily via intercalation and groove binding modes. Moreover, computational studies strongly support the intercalative/groove binding mode for DNA-compound (drug) interaction as suggested by the experimental data.

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Why is it important?

The benzimidazole-based ligands and their copper complexes possess active sites capable of interacting with targeted DNA molecules, and such properties may play a valuable role in combating the major issues relating to microbial infections. The current research project aims to address the problems associated with existing drug therapies, such as increased drug resistance, enhanced activity, decreased toxicity, and minimal side effects.

Perspectives

This study reports the synthesis and characterization of five new benzimidazole-based ligands and their respective Cu(II) complexes. Their structural and biological properties are analyzed through experimental methods and theoretical approaches, including DFT studies, quantum chemical calculations, and geometrical optimizations. Moreover, both metal derivatives and free ligands are preliminarily tested for their antibacterial, antidiabetic, and hemolytic activities.

Dr Imtiaz-ud-Din - Din
Quaid-i-Azam University

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This page is a summary of: Copper(II) derivatives of substituted benzimidazoles: Synthesis, structural, computational, and biological studies, Journal of Molecular Structure, January 2026, Elsevier,
DOI: 10.1016/j.molstruc.2025.144048.
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